2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-[4-[hydroxy(phenyl)methyl]phenyl]acetamide

C27H31N3O3 — CID 11525126

IUPAC2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-[4-[hydroxy(phenyl)methyl]phenyl]acetamide
SMILESO=C(CN1CCC(Nc2ccccc2CO)CC1)Nc1ccc(C(O)c2ccccc2)cc1
InChIInChI=1S/C27H31N3O3/c31-19-22-8-4-5-9-25(22)28-24-14-16-30(17-15-24)18-26(32)29-23-12-10-21(11-13-23)27(33)20-6-2-1-3-7-20/h1-13,24,27-28,31,33H,14-19H2,(H,29,32)
InChIKeyASDDJYGMWHJFAI-UHFFFAOYSA-N
MW445.56 g/mol
LogP3.78
Rot. Bonds8

About 2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-[4-[hydroxy(phenyl)methyl]phenyl]acetamide

2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-[4-[hydroxy(phenyl)methyl]phenyl]acetamide (PubChem CID 11525126) has the molecular formula C27H31N3O3 and a molecular weight of 445.56 g/mol. Its IUPAC name is 2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-[4-[hydroxy(phenyl)methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-[4-[hydroxy(phenyl)methyl]phenyl]acetamide
PubChem CID11525126
Molecular FormulaC27H31N3O3
Molecular Weight445.56 g/mol
Exact Mass445.24
IUPAC Name2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-[4-[hydroxy(phenyl)methyl]phenyl]acetamide
SMILESO=C(CN1CCC(Nc2ccccc2CO)CC1)Nc1ccc(C(O)c2ccccc2)cc1
InChIInChI=1S/C27H31N3O3/c31-19-22-8-4-5-9-25(22)28-24-14-16-30(17-15-24)18-26(32)29-23-12-10-21(11-13-23)27(33)20-6-2-1-3-7-20/h1-13,24,27-28,31,33H,14-19H2,(H,29,32)
InChIKeyASDDJYGMWHJFAI-UHFFFAOYSA-N
XLogP3.78
TPSA84.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 53.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-[4-[hydroxy(phenyl)methyl]phenyl]acetamide
CID 11634049
2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-(9-methylcarbazol-3-yl)acetamide
CID 11554039
2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-pent-1-en-3-ylacetamide
CID 142998379
2-[4-(2-hydroxyanilino)piperidin-1-yl]-N-(9-oxofluoren-3-yl)acetamide
CID 24985384
2-(4-hydroxypiperidin-1-yl)-N-phenylacetamide
CID 39902294
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(2-methoxyphenyl)acetamide
CID 16589762
2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-quinolin-3-ylacetamide
CID 11682940
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(4-phenylphenyl)acetamide
CID 60510320
2-[4-[2-(hydroxymethyl)-4-methylanilino]piperidin-1-yl]-N-quinolin-6-ylacetamide
CID 11668562
N-(4-butan-2-ylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 111113960
N-(9-ethylcarbazol-3-yl)-2-[4-(2-hydroxyanilino)piperidin-1-yl]acetamide
CID 24985386
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(4-chlorophenyl)acetamide
CID 16589818

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-[4-[hydroxy(phenyl)methyl]phenyl]acetamide?
The IUPAC name of 2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-[4-[hydroxy(phenyl)methyl]phenyl]acetamide (CID 11525126) is 2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-[4-[hydroxy(phenyl)methyl]phenyl]acetamide.
What is the SMILES notation for 2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-[4-[hydroxy(phenyl)methyl]phenyl]acetamide?
The canonical SMILES for 2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-[4-[hydroxy(phenyl)methyl]phenyl]acetamide is O=C(CN1CCC(Nc2ccccc2CO)CC1)Nc1ccc(C(O)c2ccccc2)cc1.
What is the InChIKey of 2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-[4-[hydroxy(phenyl)methyl]phenyl]acetamide?
The InChIKey is ASDDJYGMWHJFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O3/c31-19-22-8-4-5-9-25(22)28-24-14-16-30(17-15-24)18-26(32)29-23-12-10-21(11-13-23)27(33)20-6-2-1-3-7-20/h1-13,24,27-28,31,33H,14-19H2,(H,29,32).
What are the key properties of 2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-[4-[hydroxy(phenyl)methyl]phenyl]acetamide?
2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-[4-[hydroxy(phenyl)methyl]phenyl]acetamide has a molecular weight of 445.56 g/mol, XLogP of 3.78, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-[4-[hydroxy(phenyl)methyl]phenyl]acetamide is sourced from PubChem (CID 11525126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).